uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07303920B2
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IDENTITY
结构与身份
- 标准SMILES
- Cc1ncc(COP(=O)(O)O)c(C=O)c1O.O
- InChIKey
- CEEQUQSGVRRXQI-UHFFFAOYSA-N
- 分子式
- C8H12NO7P
- 平均分子量
- 265.16 g/mol
- 单同位素质量
- 265.03513872
COMPUTED
结构计算性质
- 极性表面积
- 118 Ų
- 氢键供体
- 4
- 氢键受体
- 8
- 可旋转键
- 4
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 292
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
REGULATORY
法规信息
Regulatory Information
Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate
4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Mechanism of Action
MC-1 is a biologically active natural product which can be regarded as a chemical entity that has been evolutionarily selected and validated for binding to particular protein domains. Thus, its underlying structural architecture, or scaffold, has already been biologically established as safe and active, providing a powerful guiding principle for novel drug and library development.
ALIASES
名称与别名
Pyridoxal 5'-phosphate monohydrateDTXSID7046594DTXCID50265944-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, monohydrate4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrateRefChem:8709004-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate41468-25-1Pyridoxal phosphate hydrate(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydratePyridoxal 5'-phosphate hydratePyridoxal-5-phosphate MonohydratePYRIDOXAL-5'-PHOSPHATE MONOHYDRATEMFCD00149414(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate(1:x)C8H12NO7PPyridoxal phosphate (hydrate)Pyridoxal phosphate (monohydrate)Pyridoxal phosphate [JAN]Pyridoxal 5'-phosphate (hydrate)
REACTIONS
